SB57-0329 Screening compound: 5-[2-(1-ethylpropyl)-6-(ethylsulfonyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

SB57-0329 Screening compound: 5-[2-(1-ethylpropyl)-6-(ethylsulfonyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole
SB57-0329 Screening compound: 5-[2-(1-ethylpropyl)-6-(ethylsulfonyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-0329
5-[2-(1-ethylpropyl)-6-(ethylsulfonyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SB57-0329

Molecular Formula

C16H28N4O3S (C16 H28 N4 O3 S)

Compound Name

5-[2-(1-ethylpropyl)-6-(ethylsulfonyl)-2,6-diazaspiro[3.4]oct-8-yl]-3-methyl-1,2,4-oxadiazole

IUPAC name

6-(ethanesulfonyl)-8-(3-methyl-124-oxadiazol-5-yl)-2-(pentan-3-yl)-26-diazaspiro[3.4]octane

SMILES

CCC(CC)N(C1)CC1(CN(C1)S(CC)(=O)=O)C1c1nc(C)no1

InChI

InChI=1S/C16H28N4O3S/c1-5-13(6-2)19-9-16(10-19)11-20(24(21,22)7-3)8-14(16)15-17-12(4)18-23-15/h13-14H,5-11H2,1-4H3/t14-/m0/s1

InChI Key

WZXLJCCAHINFIB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32248946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

-2.902

Water Solubility, LogSw

-1.77

Polar Surface Area

66.790

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

11.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.50

SB57-0329 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB57-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-0329?
Check Price and Availability of SB57-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB57-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-0329
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SB57-0329 available by request